MMsINC Database Search


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MMsINC code: MMs01185507

Type: Neutral
Formula: C₁₈H₂₅N₃O

SMILES:

O=C(N(Cc1nccn1Cc1cc(ccc1C)C)C(C)C)C

InChI:

InChI=1/C18H25N3O/c1-13(2)21(16(5)22)12-18-19-8-9-20(18)11-17-10-14(3)6-7-15(17)4/h6-10,13H,11-12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.2 kcal/mol

Physical Properties
Molecular Weight: 299.418 g/mol	logS: -3.13259	SlogP: 3.83794	Reactive groups: 0

Topological Properties
Globularity: 0.12428	Sterimol/B1: 2.08214	Sterimol/B2: 3.14439	Sterimol/B3: 4.78649
Sterimol/B4: 8.73627	Sterimol/L: 14.0126

Surface and Volume Properties
Accessible surface: 543.93	Positive charged surface: 359.412	Negative charged surface: 184.518	Volume: 315.25
Hydrophobic surface: 448.112	Hydrophilic surface: 95.818

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.